%chk=000028920.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028920

0 1
 O    1.624400      0.2578000       1.352800    
 O   -1.727800      -1.918900      0.1736000    
 O   0.3944000      -2.706800     -0.1192000    
 N    3.585200      0.3542000      0.1347000    
 N   -5.425200       2.264200     -1.0500000E-02
 C    5.854700      0.5429000      0.7289000    
 C    5.711800      0.8376000     -0.7590000    
 C    4.439100      0.7377000       1.249400    
 C    4.356900      0.2323000      -1.098100    
 C    2.226600      0.1432000      0.2841000    
 C    1.486600     -0.2419000     -0.9719000    
 C   4.4000000E-02 -0.4083000     -0.6020000    
 C  -0.8300000      0.6059000     -0.6519000    
 C   -2.223000      0.4132000     -0.2869000    
 C  -0.3878000      -1.763200     -0.1710000    
 C   -2.640800     -0.8488000      0.1191000    
 C   -3.156300       1.451500     -0.3291000    
 C   -3.961500      -1.102900      0.4837000    
 C   -4.485000       1.212600      3.3799998E-02
 C   -4.886400     -6.2199999E-02  0.4394000    
 H    6.168100     -0.4983000      0.8716000    
 H    6.580300       1.191800       1.226600    
 H    5.689700       1.922100     -0.9207000    
 H    6.523200      0.4174000      -1.359200    
 H    4.219100      0.1346000       2.135200    
 H    4.235200       1.789600       1.477900    
 H    3.865800      0.7470000      -1.927800    
 H    4.441200     -0.8336000      -1.335900    
 H    1.597000      0.5573000      -1.713800    
 H    1.908200      -1.156200      -1.400700    
 H  -0.5175000       1.597200     -0.9650000    
 H   -2.851500       2.447600     -0.6438000    
 H   -4.271300      -2.094600      0.7985000    
 H   -5.918100     -0.2545000      0.7226000    
 H   -5.137400       3.188600     -0.3028000    
 H   -6.386900       2.094500      0.2525000    


%chk=000028920-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028920

0 1
O 1.973174 2.594578 -0.217882
O -1.085520 -1.677840 -0.484256
O 1.058147 -2.010956 -1.238123
N 3.477224 0.828390 -0.264141
N -5.426115 1.630320 0.923451
C 5.070321 0.155090 1.369286
C 5.339936 -0.636362 0.062893
C 4.257211 1.373801 0.881138
C 4.030264 -0.474239 -0.748715
C 2.354249 1.480556 -0.711428
C 1.519391 0.811769 -1.828927
C 0.217657 0.274430 -1.263961
C -0.836585 1.101828 -0.926599
C -2.060687 0.583364 -0.353842
C 0.146688 -1.175816 -1.022323
C -2.152574 -0.823881 -0.154398
C -3.163004 1.401650 0.010139
C -3.315001 -1.407760 0.386081
C -4.338643 0.834180 0.559557
C -4.398147 -0.586800 0.738790
H 4.461717 -0.452070 2.064146
H 5.996586 0.450440 1.890160
H 6.186287 -0.181200 -0.484067
H 5.580148 -1.697613 0.241924
H 3.567409 1.792273 1.632640
H 4.914742 2.197072 0.538127
H 4.225429 -0.442443 -1.836181
H 3.312695 -1.292547 -0.557828
H 1.304861 1.607829 -2.562958
H 2.064305 -0.001228 -2.331900
H -0.731188 2.181772 -1.080265
H -3.090178 2.486074 -0.137215
H -3.354572 -2.491959 0.524644
H -5.303678 -1.038659 1.160635
H -5.394877 2.639132 0.812506
H -6.262670 1.217426 1.323994


